octadecyl deoxycholate | 847983-26-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: octadecyl deoxycholate
• CAS: 847983-26-0
• 化学式: C₄₂H₇₆O₄
• 分子量: 645.063
• InChiKey: YMUTUXPSBKLQHT-QEAFNCBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.2
• 重原子数：
  46.0
• 可旋转键数：
  21.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.98
• 拓扑面积：
  66.76
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  octadecyl deoxycholate 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 5.0h， 生成 octadecyl 3α,12α-bis(ε-ammoniocapronoyloxy)-5β-cholan-24-oate bistrifluoroacetate
  参考文献：
  名称：

  Synthesis of Cationic Amphiphiles on the Basis of Deoxycholic Acid

  摘要：

  Cationic derivatives of deoxycholic acid with N,N-dimethylenediamine, epsilon-aminocaproic acid, and pyridine as polar heads were synthesized. The cationic groups were linked to 3alpha- and 12alpha-hydroxy groups of the steroid moiety through ester or urethane bonds. Liposomal formulations of the compounds synthesized may be used for gene delivery in cells.

  DOI：

  10.1023/b:rubi.0000043792.13604.b3
• 作为产物：
  描述：

  硬脂醇 、 去氧胆酸 在 对甲苯磺酸 作用下， 反应 2.0h， 以70%的产率得到octadecyl deoxycholate
  参考文献：
  名称：

  Synthesis of Cationic Amphiphiles on the Basis of Deoxycholic Acid

  摘要：

  Cationic derivatives of deoxycholic acid with N,N-dimethylenediamine, epsilon-aminocaproic acid, and pyridine as polar heads were synthesized. The cationic groups were linked to 3alpha- and 12alpha-hydroxy groups of the steroid moiety through ester or urethane bonds. Liposomal formulations of the compounds synthesized may be used for gene delivery in cells.

  DOI：

  10.1023/b:rubi.0000043792.13604.b3